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97 substances in Reaxys
2018-06-01 04h:48m:03s (UTC)
O
H N
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Reaxys ID 7078770 View in Reaxys
1/97 11CH
O
Chemical Name: dl-threo <11C>methylphenidate; dl-threo [11C]methylphenidate Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 Type of Substance: heterocyclic Type and Modification: threo InChI Key: DUGOZIWVEXMGBE-BJUDXGSMSA-N Note:
3
O
H N
Reaxys ID 7078771 View in Reaxys 11CH
2/97 Chemical Name: d-threo <11C>methylphenidate; d-threo [11C]methylphenidate Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 Type of Substance: heterocyclic Type and Modification: D-isomer;threo InChI Key: DUGOZIWVEXMGBE-BJUDXGSMSA-N Note:
3
O
O
H N
Reaxys ID 7078772 View in Reaxys 11CH
3/97 Chemical Name: l-threo <11C>methylphenidate; l-threo [11C]methylphenidate Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 Type of Substance: heterocyclic Type and Modification: L-isomer;threo InChI Key: DUGOZIWVEXMGBE-BJUDXGSMSA-N Note:
3
O
O
H N
Reaxys ID 8320686 View in Reaxys
4/97 11
CH 3
O
Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-BJUDXGSMSA-N Note:
O
H N
Reaxys ID 10381059 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
5/97
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11CH
O
Chemical Name: d-threo-[11C]methylphenidate Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 Type of Substance: heterocyclic Type and Modification: (+)-enantiomer;threo InChI Key: DUGOZIWVEXMGBE-BJUDXGSMSA-N Note:
3
O
H N
Reaxys ID 10383283 View in Reaxys
6/97 11CH
O
Chemical Name: l-erythro-[11C]methylphenidate Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 Type of Substance: heterocyclic Type and Modification: (-)-enantiomer;erythro InChI Key: DUGOZIWVEXMGBE-BJUDXGSMSA-N Note:
3
O
H N
Reaxys ID 21791706 View in Reaxys 11CH
7/97 CAS Registry Number: 159701-30-1 Linear Structure Formula: C13 (11)CH19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 232.299 InChI Key: DUGOZIWVEXMGBE-STPKGMNZSA-N Note:
3
O
O
H N
H
Reaxys ID 86148 View in Reaxys
8/97 CAS Registry Number: 113-45-1; 20748-11-2; 20748-12-3; 40431-62-7; 40431-63-8; 40431-64-9; 40572-71-2; 52703-69-2; 52760-39-1; 132831-06-2 Chemical Name: dl-threo-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: racemate InChI Key: DUGOZIWVEXMGBE-CHWSQXEVSA-N Note:
O H H
O
HN
Reaxys ID 86149 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
9/97
3/24
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CAS Registry Number: 113-45-1; 20748-11-2; 20748-12-3; 40431-62-7; 40431-63-8; 40431-64-9; 40572-71-2; 52703-69-2; 52760-39-1; 132831-06-2 Chemical Name: (+/-)-erythro-methylphenidate; (RS)-phenyl((SR)-[2]piperidyl)-acetic acid methyl ester; (RS)-Phenyl-((SR)-[2]piperidyl)-essigsaeure-methylester; Phenyl-[2]piperidyl-essigsaeuremethylester; erythro-methyl α-phenyl-2-piperidineacetate; methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: racemate InChI Key: DUGOZIWVEXMGBE-QWHCGFSZSA-N Note:
O H H
O
HN
Reaxys ID 200061 View in Reaxys
10/97
O
CAS Registry Number: 113-45-1 Chemical Name: METHYLPHENIDATE Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 5745859 View in Reaxys
11/97
O
Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: erythro InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N Note:
O HN
Reaxys ID 5745860 View in Reaxys
12/97 Chemical Name: (+/-)-threo-methylphenidate; D,L-threo-methylphenidate; dl-threo-methylphenidate; threo-methylphenidate; methylphenidate; Ritalin(R); dex-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: threo InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N Note:
NH
O
O
Reaxys ID 6116308 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
13/97
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CAS Registry Number: 40572-71-2 Chemical Name: threo-(-)-Methylphenidate; methyl (αS,2S)-phenyl(piperidin-2-yl)acetate; (SR,2'S)-threo-methylphenidate; l-threo-methylphenidate; l-methylphenidate; 2S,2'S-threo-methylphenidate; (S)phenyl-((S)-[2]piperidyl)-acetic acid methyl ester Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-STQMWFEESA-N Note:
O H H
O
HN
Reaxys ID 6116309 View in Reaxys
14/97 CAS Registry Number: 40431-64-9 Chemical Name: dexmethylphenidate; threo-(+)-Methylphenidate; Dexmethylphenidate; methyl (αR,2R)-phenyl-(piperidin-2-yl)acetate; (R)-methyl 2-phenyl-2-((R)-piperidin-2-yl)acetate; (2R,2'R)-threomethylphenidate; 2R,2'R-threo-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-CHWSQXEVSA-N Note:
O H H
O
HN
Reaxys ID 6208211 View in Reaxys
O
15/97 CAS Registry Number: 40431-63-8 Chemical Name: methyl (αS,2R)-phenyl-(piperidin-2-yl)acetate; (2S,2'R)-erythro-methylphenidate; Methylphenidat Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-OLZOCXBDSA-N Note:
O
H HN
Reaxys ID 7974782 View in Reaxys
O
16/97 Chemical Name: erythro-(2R,2'S)-methyl phenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-QWHCGFSZSA-N Note:
O
H HN
Reaxys ID 8227264 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
17/97
5/24
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Chemical Name: d-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: (+)-enantiomer;rel-configuration InChI Key: DUGOZIWVEXMGBE-CHWSQXEVSA-N Note:
O O
NH
H
Reaxys ID 8349745 View in Reaxys
O
18/97 Chemical Name: d-threo-methylphenidate; dexmethylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: (+)-enantiomer;threo InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 10457205 View in Reaxys
O
19/97 Chemical Name: d-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: (+)-enantiomer InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 10712439 View in Reaxys
O
20/97 Chemical Name: l-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type of Substance: heterocyclic Type and Modification: (-)-enantiomer;rel-configuration InChI Key: DUGOZIWVEXMGBE-CHWSQXEVSA-N Note:
O
H NH
Reaxys ID 10773568 View in Reaxys
O
21/97 Chemical Name: D-threo-methylphenidate; dexmethylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type and Modification: D-isomer;threo InChI Key: DUGOZIWVEXMGBE-UHFFFAOYSA-N Note:
O
H N
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
6/24
2018-06-01 05:12:45
Reaxys ID 14560792 View in Reaxys
O
22/97 Chemical Name: d-erythro-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type and Modification: (+)-enantiomer;rel-configuration InChI Key: DUGOZIWVEXMGBE-QWHCGFSZSA-N Note:
O
H
NH
Reaxys ID 14560793 View in Reaxys
O
23/97 Chemical Name: l-erythro-methylphenidate Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 Type and Modification: (-)-enantiomer;rel-configuration InChI Key: DUGOZIWVEXMGBE-QWHCGFSZSA-N Note:
O
H
NH
Reaxys ID 24734508 View in Reaxys
24/97 Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 InChI Key: DUGOZIWVEXMGBE-ZGTCLIOFSA-N Note:
H N
O
O
Reaxys ID 24927146 View in Reaxys
25/97 Linear Structure Formula: C14H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 233.31 InChI Key: DUGOZIWVEXMGBE-ABLWVSNPSA-N Note:
H N
O
O
Reaxys ID 18950906 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
26/97
7/24
2018-06-01 05:12:45
Linear Structure Formula: C14H18 (2)HNO2 Molecular Formula: C14H19NO2 Molecular Weight: 234.302 InChI Key: DUGOZIWVEXMGBE-LDARSMEWSA-N Note:
O
2H
O H N
Reaxys ID 18950907 View in Reaxys
27/97 C14H18 (2)HNO2
Linear Structure Formula: Molecular Formula: C14H19NO2 Molecular Weight: 234.302 InChI Key: DUGOZIWVEXMGBE-WJKGTOOFSA-N Note:
O O H
H N
2H
Reaxys ID 31372194 View in Reaxys O
28/97 Chemical Name: ZINC00001267 Linear Structure Formula: C14H19NO2*H(1+) Molecular Formula: C14H19NO2*H Molecular Weight: 234.318 InChI Key: DUGOZIWVEXMGBE-QWHCGFSZSA-O Note:
O
H+ H NH
Reaxys ID 18950908 View in Reaxys
29/97 Linear Structure Formula: C14H16 (2)H3NO2 Molecular Formula: C14H19NO2 Molecular Weight: 236.287 InChI Key: DUGOZIWVEXMGBE-QAEPMEOJSA-N Note:
2
H
2H
2H
O O H N
H
Reaxys ID 8698382 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
30/97
8/24
2018-06-01 05:12:45
18O
Linear Structure Formula: C14H19N(18)O2 Molecular Formula: C14H19NO2 Molecular Weight: 237.312 Type of Substance: heterocyclic InChI Key: DUGOZIWVEXMGBE-KMESGNCKSA-N Note:
18O
H N
Reaxys ID 18950910 View in Reaxys
31/97 Linear Structure Formula: C14H14 (2)H5NO2 Molecular Formula: C14H19NO2 Molecular Weight: 238.271 InChI Key: DUGOZIWVEXMGBE-SILFLTIMSA-N Note:
O O H
H N
2H
2H
2H
2H 2H
Reaxys ID 18950909 View in Reaxys
32/97 Linear Structure Formula: C14H10 (2)H9NO2 Molecular Formula: C14H19NO2 Molecular Weight: 242.239 InChI Key: DUGOZIWVEXMGBE-ITQNTEAOSA-N Note:
O O 2H
H N
2H
2H 2H
2H 2
2H
H 2H
2H
Reaxys ID 28844821 View in Reaxys
O
2
H
33/97 Chemical Name: methylphenidate; MPH Linear Structure Formula: C14H10 (2)H9NO2 Molecular Formula: C14H19NO2 Molecular Weight: 242.239 InChI Key: DUGOZIWVEXMGBE-DNIAVSQBSA-N Note:
O
2H
NH
2
H
2
H
2
H
2H
2H 2H
2H
Reaxys ID 18950911 View in Reaxys
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34/97
9/24
2018-06-01 05:12:45
Linear Structure Formula: C14 (2)H19NO2 Molecular Formula: C14H19NO2 Molecular Weight: 252.159 InChI Key: DUGOZIWVEXMGBE-AZYIWVPZSA-N Note:
2H 2H
2H
O
2H
O 2H
2H
N
2H
2H
2H 2H
2H
2H 2H
2H 2H
2H
2H
2H 2H
Reaxys ID 5780484 View in Reaxys
35/97 Cl
O
CAS Registry Number: 298-59-9; 19262-68-1; 23644-60-2; 23655-65-4; 29419-95-2; 29419-96-3; 29419-97-4; 56502-30-8 Chemical Name: erythro-dl-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*HCl Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: erythro InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
H
O
H N
Reaxys ID 5780485 View in Reaxys
36/97
Cl
O
CAS Registry Number: 298-59-9; 19262-68-1; 23644-60-2; 23655-65-4; 29419-95-2; 29419-96-3; 29419-97-4; 56502-30-8 Chemical Name: threo-methyl α-phenyl-α-(2-piperidyl)acetate hydrochloride; (+/-)-threo-methylphenidate hydrochloride; dl-threo methylphenidate hydrochloride; threo-dl-methylphenidate hydrochloride; threo-methylphenidate hydrochloride; methylphenidate; dex-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: threo InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
H
O
H N
Reaxys ID 6119832 View in Reaxys
37/97 CAS Registry Number: 29419-95-2 Chemical Name: methyl (αS,2S)-phenyl-(piperidin-2-yl)acetate hydrochloride; methyl piperidin-2-yl-phenylacetate hydrochloride; (2S,2'S)(-)-threo-methylphenidate hydrochloride; (-)-threo-methylphenidate hydrochloride; 2S,2'S-threo-methylphenidate hydrochloride; (S)-phenyl-((S)-[2]piperidyl)-acetic acid methyl ester; hydrochloride; (S)Phenyl-((S)-[2]piperidyl)-essigsaeure-methylester; Hydrochlorid Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic InChI Key: JUMYIBMBTDDLNG-QNTKWALQSA-N
O H H HN
O Cl
H
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
10/24
2018-06-01 05:12:45
Note:
Reaxys ID 6119833 View in Reaxys
38/97 CAS Registry Number: 19262-68-1 Chemical Name: dexmethylphenidate hydrochloride; Dexmethylphenidate hydrochloride; (R)-methyl 2-phenyl-2-((R)-piperidin-2-yl)acetate hydrochloride; methyl piperidin-2-yl-phenylacetate hydrochloride; (2R,2'R)-(+)-threo-methylphenidate hydrochloride; (2R,2'R)threo-(+)-methylphenidate hydrochloride; d-threo-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*HCl Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic InChI Key: JUMYIBMBTDDLNG-OJERSXHUSA-N Note:
O H H
O Cl
HN
H
Reaxys ID 6119834 View in Reaxys
39/97 CAS Registry Number: 298-59-9; 19262-68-1; 23644-60-2; 23655-65-4; 29419-95-2; 29419-96-3; 29419-97-4; 56502-30-8 Chemical Name: methylphenidate hydrochloride; Methylphenidate hydrochloride; (2SR)-2-[(SR)-1-methoxycarbonyl-1-phenylmethyl]hexahydropyridinium chloride; methyl 2-phenyl-2-(piperidin-2yl)acetate hydrochloride; (+/-)-threo-methylphenidate hydrochloride; (+/-)-threo methyl phenyl(piperidin-2-yl)acetate hydrochloride; methyl ester (±)-threo-methyl phenidate hydrochloride Linear Structure Formula: C14H19NO2*HCl Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: racemate InChI Key: JUMYIBMBTDDLNG-OJERSXHUSA-N Note:
O H H
O Cl
HN
H
Reaxys ID 6119835 View in Reaxys
40/97 CAS Registry Number: 298-59-9; 19262-68-1; 23644-60-2; 23655-65-4; 29419-95-2; 29419-96-3; 29419-97-4; 56502-30-8 Chemical Name: erythro-Methylphenidate hydrochloride; (2SR)-2[(RS)-1-methoxycarbonyl-1-phenylmethyl]hexahydropyridinium chloride; (RS)-phenyl-((SR)-[2]piperidyl)-acetic acid methyl ester; hydrochloride; (RS)-Phenyl-((SR)-[2]piperidyl)-essigsaeure-methylester; Hydrochlorid Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: racemate InChI Key: JUMYIBMBTDDLNG-JHEYCYPBSA-N Note:
O H H HN
O Cl
H
Reaxys ID 6492989 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
41/97
11/24
2018-06-01 05:12:45
Cl
O
CAS Registry Number: 298-59-9 Chemical Name: methylphenidate hydrochloride; 2-piperidineacetic acid α-phenyl-methyl ester hydrochloride; methyl-threo-dl-2-phenyl-2-(2'-piperidyl)acetate hydrochloride; (±)-threo-methylphenidate hydrochloride; D,L-methyl-phenyl-2(2'-piperidyl)acetate; dl-threomethylphenidate hydrochloride; (+/-)-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*HCl Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
H
O
H N
Reaxys ID 7085275 View in Reaxys
O
42/97 Chemical Name: d-threo methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: D-isomer;threo InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
H N
Cl
H
Reaxys ID 7085276 View in Reaxys
O
43/97 Chemical Name: l-threo methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: L-isomer;threo InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
H N
Cl
H
Reaxys ID 7983141 View in Reaxys
O
44/97 Chemical Name: methyl piperidin-2-yl-phenylacetate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic InChI Key: JUMYIBMBTDDLNG-KZCZEQIWSA-N Note:
O
H Cl
H
HN
Reaxys ID 7983142 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
45/97
12/24
2018-06-01 05:12:45
O
Chemical Name: methyl piperidin-2-yl-phenylacetate hydrochloride; d-erythro-methylphenidate hydrochloride; dexmethylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic InChI Key: JUMYIBMBTDDLNG-JHEYCYPBSA-N Note:
O
H Cl
H
HN
Reaxys ID 8242466 View in Reaxys
O
46/97 Chemical Name: d-threo-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: (+)-enantiomer;rel-configuration InChI Key: JUMYIBMBTDDLNG-OJERSXHUSA-N Note:
O
H Cl
H
HN
Reaxys ID 9359539 View in Reaxys
O
47/97 Cl
H
Cl
H
Chemical Name: D-methyl-phenyl-2(2'-piperidyl)acetate hydrochloride; D-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: D InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 10044941 View in Reaxys
O
48/97 Chemical Name: (+)-(2R,2'R)-threo-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: (+)-enantiomer;threo InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 10045333 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
49/97
13/24
2018-06-01 05:12:45
Cl
O
H
Chemical Name: (-)-(2S,2'S)-threo-methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 Type of Substance: heterocyclic Type and Modification: (-)-enantiomer;threo InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 24734597 View in Reaxys
O
50/97 Linear Structure Formula: C14H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 269.771 InChI Key: JUMYIBMBTDDLNG-QPWPOBFOSA-N Note:
O
H
Cl
H
NH
Reaxys ID 14615098 View in Reaxys
51/97 CAS Registry Number: 907200-07-1 Chemical Name: (13)C6-(2R,2'R)-(+)-threomethylphenidate hydrochloride Linear Structure Formula: C8 (13)C6H19NO2*ClH Molecular Formula: C14H19NO2*ClH Molecular Weight: 275.705 InChI Key: JUMYIBMBTDDLNG-AGUJAWNPSA-N Note:
O O H N
H
H
HCl
13C 13C
13CH
H 13C
13
CH
13C
H
Reaxys ID 10382985 View in Reaxys
52/97 2
O
HCl
Chemical Name: methylphenidate hydrochloride Linear Structure Formula: C14H19NO2*2ClH Molecular Formula: C14H19NO2*2ClH Molecular Weight: 306.232 Type of Substance: heterocyclic InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
H N
Reaxys ID 28155371 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
53/97
14/24
2018-06-01 05:12:45
O
O
Chemical Name: threo-methylphenidate sulfate salt Linear Structure Formula: C14H19NO2*H2O4S Molecular Formula: C14H19NO2*H2O4S Molecular Weight: 331.39 Type and Modification: threo InChI Key: BQCUQSNJSINTEX-UHFFFAOYSA-N Note:
OH O
S
O
OH NH
Reaxys ID 32082740 View in Reaxys
O
54/97
O
O
H H N
Linear Structure Formula: C4H6O6*C14H19NO2 Molecular Formula: C4H6O6*C14H19NO2 Molecular Weight: 383.398 InChI Key: HZJQABWUZCIFLC-WIZDHMDSSA-N Note:
OH OH
HO OH
O
Reaxys ID 32082741 View in Reaxys
55/97 Linear Structure Formula: C8H8O3*C14H19NO2 Molecular Formula: C8H8O3*C14H19NO2 Molecular Weight: 385.46 InChI Key: AAPLWQZEZWYQIZ-PABIGAJRSA-N Note:
OH O
O
OH O
H H N
Reaxys ID 14429916 View in Reaxys
56/97 Chemical Name: (1R)-endo-(+)-fenchyloxyacetic acid / d-threomethylphenidate salt Linear Structure Formula: C12H20O3*C14H19NO2 Molecular Formula: C12H20O3*C14H19NO2 Molecular Weight: 445.599 InChI Key: OBAXEJNHANAKCI-HXEIGLMLSA-N Note:
O H O
H
O
HN O
OH
Reaxys ID 32082739 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
57/97
15/24
2018-06-01 05:12:45
O
O
Linear Structure Formula: C12H22O3*C14H19NO2 Molecular Formula: C12H22O3*C14H19NO2 Molecular Weight: 447.615 InChI Key: QAKXFAAYZGEQEQ-YMPYSQLRSA-N Note:
OH
O O
H N
H
Reaxys ID 30639208 View in Reaxys
O
58/97 Chemical Name: methylphenidate Methylphenidate HCl Linear Structure Formula: 2C14H19NO2*ClH Molecular Formula: 2C14H19NO2*ClH Molecular Weight: 503.082 InChI Key: JUMYIBMBTDDLNG-UHFFFAOYSA-N Note:
O
2
HCl
NH
Reaxys ID 32352332 View in Reaxys
O
59/97 Chemical Name: dexmethylphenidate N-tosyl-l-glutamate Salt; L– methylphenidate N-tosyl-L-glutamate Linear Structure Formula: C12H15NO6S*C14H19NO2 Molecular Formula: C12H15NO6S*C14H19NO2 Molecular Weight: 534.631 InChI Key: UPKBTSSEGLMZEH-SENQPLRTSA-N Note:
O
H N O
O
H
O
S NH
HO
HO
O
Reaxys ID 24573904 View in Reaxys
60/97
O
Chemical Name: (2R,2'R)-threo-methylphenidate*(R)-(-)-binaphthyl-2,2'-diyl hydrogen phosphate; (2R,2'R)-threo-methylphenidate*(R)BNDHP Linear Structure Formula: C14H19NO2*C20H13O4P Molecular Formula: C14H19NO2*C20H13O4P Molecular Weight: 581.605 Type and Modification: R(a)-isomer InChI Key: CZYSUROXKHFZBH-GDFTWZQUSA-N Note:
O
H
NH
O O P OH O
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
16/24
2018-06-01 05:12:45
Reaxys ID 24573905 View in Reaxys
61/97
O
Chemical Name: (2S,2'S)-threo-methylphenidate*(R)-(-)-binaphthyl-2,2'-diyl hydrogenphosphate; (2S,2'S)-threo-methylphenidate*(R)BNDHP Linear Structure Formula: C14H19NO2*C20H13O4P Molecular Formula: C14H19NO2*C20H13O4P Molecular Weight: 581.605 Type and Modification: R(a)-isomer InChI Key: CZYSUROXKHFZBH-GSFLQJLQSA-N Note:
O
H
NH
O O P OH O
Reaxys ID 8465545 View in Reaxys
O
62/97
O
O O
Chemical Name: (2S,2'S)-threo-methylphenidate O,O'-dibenzoyl-L(-)-tartrate salt Linear Structure Formula: C18H14O8*C14H19NO2 Molecular Formula: C14H19NO2*C18H14O8 Molecular Weight: 591.615 Type of Substance: heterocyclic InChI Key: VOIOTCJAJHEYTF-URCKWTPPSA-N Note:
OH
H
O
O
H
O
O
OH
NH
Reaxys ID 8465546 View in Reaxys
O
63/97
O
O
Chemical Name: (2R,2'R)-threo-methylphenidate O,O'-dibenzoyl-D(+)-tartrate salt Linear Structure Formula: C18H14O8*C14H19NO2 Molecular Formula: C14H19NO2*C18H14O8 Molecular Weight: 591.615 Type of Substance: heterocyclic InChI Key: VOIOTCJAJHEYTF-MQGYSOQDSA-N Note:
OH
O O
H
H
O O O
OH
NH
Reaxys ID 14430285 View in Reaxys
64/97 OH
O
CAS Registry Number: 252979-89-8 Chemical Name: l-threo-methylphenidate / dibenzoyl L-tartaric acid Linear Structure Formula: C14H19NO2*C18H14O8 Molecular Formula: C14H19NO2*C18H14O8 Molecular Weight: 591.615 InChI Key: VOIOTCJAJHEYTF-RKXLQFPKSA-N Note:
O
O O
H N
O O H
O O
HO
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
17/24
2018-06-01 05:12:45
Reaxys ID 18407255 View in Reaxys
65/97
O O O
O O OH
H N
OH
CAS Registry Number: 194041-29-7 Chemical Name: D-threo-methylphenidate di-p-toluoyl-D-tartaric acid salt Linear Structure Formula: C14H19NO2*C20H18O8 Molecular Formula: C14H19NO2*C20H18O8 Molecular Weight: 619.668 InChI Key: LRZWQRAXEHSZEC-ASVAKLBFSA-N Note:
O H O O
Reaxys ID 18407256 View in Reaxys
66/97
O O O
O O OH
H N
OH
CAS Registry Number: 512184-22-4 Chemical Name: L-threo-methylphenidate di-p-toluoyl-L-tartaric acid salt Linear Structure Formula: C14H19NO2*C20H18O8 Molecular Formula: C14H19NO2*C20H18O8 Molecular Weight: 619.668 InChI Key: LRZWQRAXEHSZEC-YGVJRRQKSA-N Note:
O H O O
Reaxys ID 18407257 View in Reaxys
67/97 Linear Structure Formula: C14H19NO2*C20H18O8 Molecular Formula: C14H19NO2*C20H18O8 Molecular Weight: 619.668 InChI Key: LRZWQRAXEHSZEC-MXOLLUITSA-N Note:
O O O
O O OH
H N
OH H
O O O
Reaxys ID 22216836 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
68/97
18/24
2018-06-01 05:12:45
CAS Registry Number: 1357157-24-4 Chemical Name: D-methylphenidate mono-triethylammonium pamoate Linear Structure Formula: C6H15N*C14H19NO2*C23H16O6 Molecular Formula: C6H15N*C14H19NO2*C23H16O6 Molecular Weight: 722.879 InChI Key: UXINANSBXUGKLT-GPYFFJFZSA-N Note:
N
O
OH
O
H OH OH
O
NH OH
O
Reaxys ID 22216832 View in Reaxys
69/97
O
OH
O
H
2 OH OH
Chemical Name: di(D-methylphenidate) pamoate Linear Structure Formula: 2C14H19NO2*C23H16O6 Molecular Formula: 2C14H19NO2*C23H16O6 Molecular Weight: 854.997 InChI Key: MCTVIOGUVMVVED-GDFTWZQUSA-N Note:
O
NH OH
O
Reaxys ID 22216833 View in Reaxys
70/97 Chemical Name: di(racemic-methylphenidate) pamoate Linear Structure Formula: 2C14H19NO2*C23H16O6 Molecular Formula: 2C14H19NO2*C23H16O6 Molecular Weight: 854.997 Type and Modification: racemate InChI Key: MCTVIOGUVMVVED-GDFTWZQUSA-N Note:
OH 2 OH OH
O
H N
O H O
OH
O
Reaxys ID 22216838 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
71/97
19/24
2018-06-01 05:12:45
Chemical Name: racemic-methylphenidate stearylamine pamoate Linear Structure Formula: C14H19NO2*C18H39N*C23H16O6 Molecular Formula: C14H19NO2*C18H39N*C23H16O6 Molecular Weight: 891.201 Type and Modification: racemate InChI Key: DHLCQAHWQGVDBH-CFZHIPRXSA-N Note:
OH
OH OH
H N
O
O H O
OH
O
H 2N
Reaxys ID 31786456 View in Reaxys
72/97 O
H N
O
N
O
N H
O OH
H 2N
O
Chemical Name: metoprolol lidocaine methylphenidate carbamazepine Linear Structure Formula: C14H19NO2*C14H22N2O*C15H12N2O*C15H25NO3 Molecular Formula: C14H19NO2*C14H22N2O*C15H12N2O*C15H25NO3 Molecular Weight: 971.293 InChI Key: YZKCVWVGQIDCLL-UHFFFAOYSA-N Note:
HN
O N
Reaxys ID 30584732 View in Reaxys
O
73/97
O
H N
O OH NH 2 O
O
O
O
H N
N
O S NH 2
O O N
O N N
O
Reaxys ID 11390658 View in Reaxys
74/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: azasetron; METHYLPHENIDATE
No Structure
Reaxys ID 11649772 View in Reaxys
75/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: methylphenidate hydrochloride; ethanol
No Structure
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
Chemical Name: Atomoxetine Donepezil Galantamine Memantine Methylphenidate Modafinil Rivastigmine Linear Structure Formula: C12H21N*C14H19NO2*C14H22N2O2*C15H15NO2S*C17H21NO*C17H21 NO3*C24H29NO3 Molecular Formula: C12H21N*C14H19NO2*C14H22N2O2*C15H15NO2S*C17H21NO*C17H21 NO3*C24H29NO3 Molecular Weight: 1858.53 InChI Key: DANVQFIKUOQCKF-VPQJJESLSA-N Note:
20/24
2018-06-01 05:12:45
Reaxys ID 11944017 View in Reaxys
76/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: dl-threo-methylphenidate; methylphenidate hydrochloride
No Structure
Reaxys ID 12456211 View in Reaxys
77/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: dexmethylphenidate hydrochloride; ethanol
No Structure
Reaxys ID 12456232 View in Reaxys
78/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: methyl (αS,2S)-phenyl-(piperidin-2yl)acetate; methyl (αS,2S)-phenyl-(piperidin-2-yl)acetate hydrochloride
No Structure
Reaxys ID 12456233 View in Reaxys
79/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: dexmethylphenidate; dexmethylphenidate hydrochloride
No Structure
Reaxys ID 12456239 View in Reaxys
80/97 Chemical Name: l-threo-methylphenidate - d-threo-methylphenidate Type of Substance: mixture (composition partially given) Composition: Comp. Name: methyl (αS,2S)-phenyl-(piperidin-2yl)acetate; dexmethylphenidate
No Structure
Reaxys ID 18303595 View in Reaxys
81/97 Chemical Name: calcium chloride; cellulose; double coated granules; Eudragit E100; hydroxyethyl cellulose; hydroxypropyl cellulose; methyl paraben; methyl phenidate; polyvinylpyrrolidone; silica; sodium bicarbonate; sodium lauryl sulfate; starch; stearic acid; sucrose; talc; Tween 80; xanthan gum; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; cellulose; hydroxyethyl cellulose; polyvinylpyrrolidone; hydroxypropyl cellulose; stearic acid; magnesium silicate; Eudragit E100; sodium dodecyl-sulfate; xanthan gum; calcium chloride; sodium hydrogencarbonate; starch; Sucrose; methyl 4-hydroxylbenzoate; Tween-80; silica gel
No Structure
Reaxys ID 24482615 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
82/97
21/24
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Composition: Comp. Name: dexmethylphenidate; methyl (αS,2S)phenyl-(piperidin-2-yl)acetate Composition: Comp. Conc.: 50; 50
No Structure
Reaxys ID 28068708 View in Reaxys
83/97 Type of Substance: mixture (composition completely given) Composition: Comp. Name: (R)-2-methyl-1-{3-[2-(3-pyridinyloxy)ethoxy]-2-pyrazinyl}piperazine; METHYLPHENIDATE Composition: Comp. Conc.: 6 mg; 10 mg
No Structure
Reaxys ID 28070403 View in Reaxys
84/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: Naltrexone; METHYLPHENIDATE
No Structure
Reaxys ID 28236875 View in Reaxys
85/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: raclopride; METHYLPHENIDATE
No Structure
Reaxys ID 29137899 View in Reaxys
86/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; sodium valproate
No Structure
Reaxys ID 29137900 View in Reaxys
87/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; sodium valproate; phenythoin
No Structure
Reaxys ID 29137901 View in Reaxys
88/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; topiramate
No Structure
Reaxys ID 29137902 View in Reaxys
89/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; phenythoin
No Structure
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
22/24
2018-06-01 05:12:45
Reaxys ID 29705638 View in Reaxys
90/97 Chemical Name: MPD+aripiprazole Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; aripiprazole
No Structure
Reaxys ID 29705639 View in Reaxys
91/97 Chemical Name: MPD+lithium+aripiprazole Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; lithium; aripiprazole
No Structure
Reaxys ID 29705641 View in Reaxys
92/97 Chemical Name: MPD+lithium Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; lithium
No Structure
Reaxys ID 30533299 View in Reaxys
93/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; apomorphin
No Structure
Reaxys ID 31320969 View in Reaxys
94/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: dexmethylphenidate hydrochloride; (-)Ecopipam hydrobromide
No Structure
Reaxys ID 31320970 View in Reaxys
95/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: dexmethylphenidate hydrochloride; raclopride
No Structure
Reaxys ID 32367827 View in Reaxys
96/97 Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; aripiprazole; lithium carbonate
No Structure
Reaxys ID 32367828 View in Reaxys
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
97/97
23/24
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Type of Substance: mixture (composition partially given) Composition: Comp. Name: METHYLPHENIDATE; lithium carbonate
No Structure
Copyright © 2018 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
24/24
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